3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile

C12H8FN3 — CID 59484852

IUPAC3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile
SMILESC=C1C=CC(c2cc(F)cc(C#N)c2)=NN1
InChIInChI=1S/C12H8FN3/c1-8-2-3-12(16-15-8)10-4-9(7-14)5-11(13)6-10/h2-6,15H,1H2
InChIKeyQAFUJIFIMHXYSW-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.07
Rot. Bonds1

About 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile

3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile (PubChem CID 59484852) has the molecular formula C12H8FN3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile
PubChem CID59484852
Molecular FormulaC12H8FN3
Molecular Weight213.21 g/mol
Exact Mass213.07
IUPAC Name3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile
SMILESC=C1C=CC(c2cc(F)cc(C#N)c2)=NN1
InChIInChI=1S/C12H8FN3/c1-8-2-3-12(16-15-8)10-4-9(7-14)5-11(13)6-10/h2-6,15H,1H2
InChIKeyQAFUJIFIMHXYSW-UHFFFAOYSA-N
XLogP2.07
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile (CID 59484852) is 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile is C=C1C=CC(c2cc(F)cc(C#N)c2)=NN1.
What is the InChIKey of 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile?
The InChIKey is QAFUJIFIMHXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c1-8-2-3-12(16-15-8)10-4-9(7-14)5-11(13)6-10/h2-6,15H,1H2.
What are the key properties of 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile?
3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile has a molecular weight of 213.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile is sourced from PubChem (CID 59484852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).